[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C27H22N2O7 MolecularWeight: 486.47278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C27H22N2O7/c1-14(2)16-8-10-17(11-9-16)28-26(32)15(3)36-27(33)21-13-12-20-22(23(21)29(34)35)25(31)19-7-5-4-6-18(19)24(20)30/h4-15H,1-3H3,(H,28,32)/t15-/m0/s1